Molecule

ID:28683

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClF₃N
Molecular Mass
260.4389896
Exact Mass
258.90112341
Charge
0
InChI
InChI=1S/C6H2BrClF3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey
GVQLMGPWTHAUPV-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(cc1Br)C(F)(F)F
Isomeric Smiles
c1(c(cc(cn1)C(F)(F)F)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2263963
LogD (pH = 7.4)
3.2263963
Log P
3.2263963
Molar Refractivity
43.3637
Polarizability
16.026089
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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